1-(azepan-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 1-(azepan-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 1-(1-azepanyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 1-(azepan-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 1-(azepan-1-yl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C10H16N4OS MolecularWeight: 240.32524

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC=NN2

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC=NN2

InChI

InChI=1S/C10H16N4OS/c15-9(7-16-10-11-8-12-13-10)14-5-3-1-2-4-6-14/h8H,1-7H2,(H,11,12,13)